Charge transport in columnar stacked triphenylenes: Effects of conformational fluctuations on charge transfer integrals and site energies

Keyphrases

• Columnar 100%
• Charge Transport 100%
• Site Energy 100%
• Integrated Energy 100%
• Conformational Fluctuations 100%
• Triphenylene 100%
• Charge Transfer Integral 100%
• Density Functional Theory 33%
• Molecular Orbital 33%
• Electronic Structure Calculations 33%
• Matrix Elements 33%
• Hole Transport 33%
• Kohn-Sham 33%
• Amsterdam Density Functional 33%
• Triphenylene Derivatives 33%
• Overlap Integral 33%

Chemistry

• Charge Transfer 100%
• Triphenylene 100%
• Molecular Orbital 50%
• Electronic State 50%
• Energetics 50%
• Hole Transport 50%
• dimer 50%
• Density Functional Theory 50%